COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046074
Chemical Name: (E)-(3,4-dimethoxyphenyl)[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)OC)OC)/[O-]

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Molecular Weight: 460.49
Empirical Formula: C26H24N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.139
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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